N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

C18H25N3O3 — CID 120889785

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESCOCC1(CNC(=O)CN2Cc3ccccc3C2=O)CCNCC1
InChIInChI=1S/C18H25N3O3/c1-24-13-18(6-8-19-9-7-18)12-20-16(22)11-21-10-14-4-2-3-5-15(14)17(21)23/h2-5,19H,6-13H2,1H3,(H,20,22)
InChIKeyNECPPUFHTSTREK-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.77
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 120889785) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID120889785
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESCOCC1(CNC(=O)CN2Cc3ccccc3C2=O)CCNCC1
InChIInChI=1S/C18H25N3O3/c1-24-13-18(6-8-19-9-7-18)12-20-16(22)11-21-10-14-4-2-3-5-15(14)17(21)23/h2-5,19H,6-13H2,1H3,(H,20,22)
InChIKeyNECPPUFHTSTREK-UHFFFAOYSA-N
XLogP0.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide;hydrochloride
CID 120889458
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 120888857
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 120887791
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 120891207
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905972
2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120889693
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide (CID 120889785) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide is COCC1(CNC(=O)CN2Cc3ccccc3C2=O)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is NECPPUFHTSTREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-13-18(6-8-19-9-7-18)12-20-16(22)11-21-10-14-4-2-3-5-15(14)17(21)23/h2-5,19H,6-13H2,1H3,(H,20,22).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 120889785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).